Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
   -4.2919    4.1987   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590    3.6776    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147    4.2517    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    3.3497   -0.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620    2.1437    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757    1.9787    1.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143    1.1986   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    1.0810    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120    0.1417    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    0.4841   -0.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170   -1.1336    0.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765   -2.0403    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762   -1.5868    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843   -1.4314   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135   -0.0937   -0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291   -0.8491    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346   -0.5426    1.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964   -2.0532    0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072   -2.8194    1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407   -4.0290    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7672   -4.2351   -0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490    1.7110   -1.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385    5.0554   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2707    3.7664   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4219    2.8224    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602    4.6907    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544    5.1195   -0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    2.0975    0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    0.7994    1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009   -2.2813   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4546   -2.9764    0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.3819    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -1.6409   -1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.1023   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -0.7728   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439    0.0943   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -3.1350    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667   -2.1344    1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3591   -4.7434    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537   -3.5385   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327   -5.1308   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495    0.9896   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers